Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetKallikrein-1
LigandBDBM335742
Substrate/Competitorn/a
Meas. Tech.In Vitro Inhibitory Assay
IC50 29900±n/a nM
Citation Edwards, HJEvans, DMDavie, RLRooker, DPHewison, SJ Bicyclic inhibitors US Patent US9738641 Publication Date 8/22/2017
More Info.:Get all data from this article,  Assay Method
 
Kallikrein-1
Name:Kallikrein-1
Synonyms:KLK1 | KLK1_HUMAN | Kallikrein 1 | Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein
Type:Enzyme
Mol. Mass.:28874.69
Organism:Homo sapiens (Human)
Description:P06870
Residue:262
Sequence:
MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWV
LTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHD
LMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKIL
PNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNK
PSVAVRVLSYVKWIEDTIAENS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM335742
n/a
NameBDBM335742
Synonyms:1-{4-[4-(4-Aminomethyl-benzylamino)-pyrrolo[3,2-c]pyridin-1-ylmethyl]-benzyl}-1H-pyridin-2-one | US9738641, 7
TypeSmall organic molecule
Emp. Form.C28H27N5O
Mol. Mass.449.5469
SMILESNCc1ccc(CNc2nccc3n(Cc4ccc(Cn5ccccc5=O)cc4)ccc23)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: